Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
테트라미솔
테트라미솔 · Tetramizole · DL-tetramisole · 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole · Imidazo2,1-bthiazole, 2,3,5,6-tetrahydro-6-phenyl- · (+-)-2,3,5,6-tetrahydro-6-phenylimidazo(2,1-b)thiazole · 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
식별자 및 물리적 특성
| CAS No. | 5036-02-2 |
|---|---|
| 분자식 | C11H12N2S |
| 평균 분자량 | 204.29 g/mol |
| 단동위원소 질량 | 204.07211938 g/mol |
| SMILES | c1ccc(C2CN3CCSC3=N2)cc1 |
| InChIKey | HLFSDGLLUJUHTE-UHFFFAOYSA-N |
| PubChem CID | 3913 |
| ChEMBL | CHEMBL277775 |
| ChEBI | CHEBI:77278 |
| EC No. | 225-729-3 |
| DTXSID | DTXSID20860143 |
| 현지명 | 테트라미솔 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 40.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 246 |
| LogP(분배 계수) | 1.84 |
| Animal Drugs | Pharmaceuticals -> Animal Drugs -> Approved in Taiwan |
| Collision Cross Section | 144 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]142.11 Ų [M+H]+ [CCS Type: TW |
| 녹는점 | 87-89° |
| 끓는 점 | 344.4±45.0 °C(Predicted) |
| 밀도 | 1.32±0.1 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO메탄올 에 용해됨 |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 10.00±0.40(Predicted) |
| 색상 | 백색(분말) |
| InChI | InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 |
| InChIKey | HLFSDGLLUJUHTE-UHFFFAOYSA-N |
| SMILES | S1CCN2CC(C3=CC=CC=C3)N=C12 |
| EPA | Tetramisole (5036-02-2) |
안전 및 규제
| GHS 분류 | DangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Tetramisole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Acute toxicity (Oral) - Category 4 |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-33496 |
용도
용도
Tetramisol is an isolated intermediate in the synthesis of 4-Hydroxy-tetramisole (H595270), a metabolite of Tetramisole, an anthelmintic.